RAČEK, Tomáš, Radka SVOBODOVÁ VAŘEKOVÁ and Aleš KŘENEK. Advanced implementation of atomic charge calculation with electronegativity equalization. In SVOČ 2013 v Opavě. 2013.
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Basic information
Original name Advanced implementation of atomic charge calculation with electronegativity equalization
Authors RAČEK, Tomáš, Radka SVOBODOVÁ VAŘEKOVÁ and Aleš KŘENEK.
Edition SVOČ 2013 v Opavě, 2013.
Other information
Original language English
Type of outcome Conference abstract
Field of Study 10201 Computer sciences, information science, bioinformatics
Country of publisher Czech Republic
Confidentiality degree is not subject to a state or trade secret
Organization unit Faculty of Informatics
Keywords in English Electronegativity equalization method; EEM; empirical charges; QM charges; parameterization; parallelization; optimization
Changed by Changed by: RNDr. Tomáš Raček, Ph.D., učo 324965. Changed: 11/1/2016 10:31.
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